{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.040273 0.513367 0.004174 ] [ 0.43861 0.191429 0.820472 ] [ 0.443437 0.423017 0.486981 ] [ 0.556563 0.923017 0.513019 ] [ 0.56139 0.691429 0.179528 ] [ 0.959727 0.013367 0.995826 ] [ 0.035566 0.745633 0.711885 ] [ 0.964434 0.245633 0.288115 ] [ 0.961295 0.248917 0.669156 ] [ 0.038705 0.748917 0.330844 ] [ 0.521422 0.7379 0.863576 ] [ 0.478578 0.2379 0.136424 ] [ 0.357754 0.713329 0.976758 ] [ 0.76953 0.762465 0.900351 ] [ 0.086544 0.065136 0.764814 ] [ 0.0231 0.439917 0.773718 ] [ 0.442449 0.742145 0.714316 ] [ 0.664723 0.214096 0.635766 ] [ 0.104871 0.277252 0.508748 ] [ 0.895129 0.777252 0.491252 ] [ 0.335277 0.714096 0.364234 ] [ 0.557551 0.242145 0.285684 ] [ 0.9769 0.939917 0.226282 ] [ 0.913456 0.565136 0.235186 ] [ 0.23047 0.262465 0.099649 ] [ 0.642246 0.213329 0.023242 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Zn" "Zn" "P" "P" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.11829627 "source-unit" "angstrom" } "b" { "source-value" 6.49925649 "source-unit" "angstrom" } "c" { "source-value" 8.38279524 "source-unit" "angstrom" } "beta" { "source-value" 91.76197906 "source-unit" "degree" } }